3QZP
Staphylococcus aureus IsdA NEAT domain in complex with cobalt-protoporphyrin IX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.465, 51.707, 55.747 |
| Unit cell angles | 90.00, 92.08, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.900 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2itf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.934 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.091 | 0.041 | 0.341 |
| Number of reflections | 22960 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 96.6 | 98.6 | 78.1 |
| Redundancy | 3.3 | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 1.5 M ammonium sulfate, 0.1 M citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
